Structure Database (LMSD)

Common Name
10S,14S-Dimethyl-1-octadecene
Systematic Name
10S,14S-Dimethyl-1-octadecene
Synonyms
LM ID
LMFA11000017
Formula
C20H40
Exact Mass
Calculate m/z
280.313
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
HNNJJUHEQQKTEO-PMACEKPBSA-N
InChi (Click to copy)
InChI=1S/C20H40/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h5,19-20H,1,6-18H2,2-4H3/t19-,20-/m0/s1
SMILES (Click to copy)
C=CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC

Other Databases

PubChem CID
10802739

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 351.92
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.54
Molar Refractivity 94.22

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Created at
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Updated at
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